N-[(2-chlorophenyl)methyl]-2-methyl-1-oxo-4,5-dihydro-3H-pyrrolo[1,2-a][1,4]diazepine-8-sulfonamide

C16H18ClN3O3S — CID 53182875

IUPACN-[(2-chlorophenyl)methyl]-2-methyl-1-oxo-4,5-dihydro-3H-pyrrolo[1,2-a][1,4]diazepine-8-sulfonamide
SMILESCN1CCCn2cc(S(=O)(=O)NCc3ccccc3Cl)cc2C1=O
InChIInChI=1S/C16H18ClN3O3S/c1-19-7-4-8-20-11-13(9-15(20)16(19)21)24(22,23)18-10-12-5-2-3-6-14(12)17/h2-3,5-6,9,11,18H,4,7-8,10H2,1H3
InChIKeyIYVQNYDLWUSHSV-UHFFFAOYSA-N
MW367.86 g/mol
LogP2.10
Rot. Bonds4

About N-[(2-chlorophenyl)methyl]-2-methyl-1-oxo-4,5-dihydro-3H-pyrrolo[1,2-a][1,4]diazepine-8-sulfonamide

N-[(2-chlorophenyl)methyl]-2-methyl-1-oxo-4,5-dihydro-3H-pyrrolo[1,2-a][1,4]diazepine-8-sulfonamide (PubChem CID 53182875) has the molecular formula C16H18ClN3O3S and a molecular weight of 367.86 g/mol. Its IUPAC name is N-[(2-chlorophenyl)methyl]-2-methyl-1-oxo-4,5-dihydro-3H-pyrrolo[1,2-a][1,4]diazepine-8-sulfonamide.

Molecular Properties

Compound NameN-[(2-chlorophenyl)methyl]-2-methyl-1-oxo-4,5-dihydro-3H-pyrrolo[1,2-a][1,4]diazepine-8-sulfonamide
PubChem CID53182875
Molecular FormulaC16H18ClN3O3S
Molecular Weight367.86 g/mol
Exact Mass367.08
IUPAC NameN-[(2-chlorophenyl)methyl]-2-methyl-1-oxo-4,5-dihydro-3H-pyrrolo[1,2-a][1,4]diazepine-8-sulfonamide
SMILESCN1CCCn2cc(S(=O)(=O)NCc3ccccc3Cl)cc2C1=O
InChIInChI=1S/C16H18ClN3O3S/c1-19-7-4-8-20-11-13(9-15(20)16(19)21)24(22,23)18-10-12-5-2-3-6-14(12)17/h2-3,5-6,9,11,18H,4,7-8,10H2,1H3
InChIKeyIYVQNYDLWUSHSV-UHFFFAOYSA-N
XLogP2.10
TPSA71.41 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.86
LogP ≤ 52.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[(2-chlorophenyl)methyl]-2-methyl-1-oxo-4,5-dihydro-3H-pyrrolo[1,2-a][1,4]diazepine-8-sulfonamide?
The IUPAC name of N-[(2-chlorophenyl)methyl]-2-methyl-1-oxo-4,5-dihydro-3H-pyrrolo[1,2-a][1,4]diazepine-8-sulfonamide (CID 53182875) is N-[(2-chlorophenyl)methyl]-2-methyl-1-oxo-4,5-dihydro-3H-pyrrolo[1,2-a][1,4]diazepine-8-sulfonamide.
What is the SMILES notation for N-[(2-chlorophenyl)methyl]-2-methyl-1-oxo-4,5-dihydro-3H-pyrrolo[1,2-a][1,4]diazepine-8-sulfonamide?
The canonical SMILES for N-[(2-chlorophenyl)methyl]-2-methyl-1-oxo-4,5-dihydro-3H-pyrrolo[1,2-a][1,4]diazepine-8-sulfonamide is CN1CCCn2cc(S(=O)(=O)NCc3ccccc3Cl)cc2C1=O.
What is the InChIKey of N-[(2-chlorophenyl)methyl]-2-methyl-1-oxo-4,5-dihydro-3H-pyrrolo[1,2-a][1,4]diazepine-8-sulfonamide?
The InChIKey is IYVQNYDLWUSHSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18ClN3O3S/c1-19-7-4-8-20-11-13(9-15(20)16(19)21)24(22,23)18-10-12-5-2-3-6-14(12)17/h2-3,5-6,9,11,18H,4,7-8,10H2,1H3.
What are the key properties of N-[(2-chlorophenyl)methyl]-2-methyl-1-oxo-4,5-dihydro-3H-pyrrolo[1,2-a][1,4]diazepine-8-sulfonamide?
N-[(2-chlorophenyl)methyl]-2-methyl-1-oxo-4,5-dihydro-3H-pyrrolo[1,2-a][1,4]diazepine-8-sulfonamide has a molecular weight of 367.86 g/mol, XLogP of 2.10, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-chlorophenyl)methyl]-2-methyl-1-oxo-4,5-dihydro-3H-pyrrolo[1,2-a][1,4]diazepine-8-sulfonamide is sourced from PubChem (CID 53182875), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).